why default pdb db is set to examples/input_pdbs/1qys.pdb

RosettaCommons / RFdiffusion

Code for running RFdiffusion

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why default pdb db is set to examples/input_pdbs/1qys.pdb #251

Open EricDeveaud opened 5 months ago

EricDeveaud commented 5 months ago

Hello

when runnig run_inference.py inference.output_prefix=temp/test 'contigmap.contigs=[150-150] default pdb is set to $PREFIX/lib/python<PYTHON_VERSION>/site-packages/rfdiffusion/inference/../../examples/input_pdbs/1qys.pdb

is there a reason for that behaviour ?

instead of setting a default pdb db when none is given, maybee you may want to enforce that inference.input_pdb is mandatory

regards

Eric

eliyag commented 1 month ago

We also encountered this problem when running unconditional diffusion.

divyavani01 commented 4 weeks ago

How did you guys fix this. Were you able to run it without errors now?